N-(2-pyrrolidin-1-ylethoxy)ethanimine

C8H16N2O — CID 140665973

IUPACN-(2-pyrrolidin-1-ylethoxy)ethanimine
SMILESCC=NOCCN1CCCC1
InChIInChI=1S/C8H16N2O/c1-2-9-11-8-7-10-5-3-4-6-10/h2H,3-8H2,1H3
InChIKeyVWTQQRWDNORMKH-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethoxy)ethanimine

N-(2-pyrrolidin-1-ylethoxy)ethanimine (PubChem CID 140665973) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethoxy)ethanimine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethoxy)ethanimine
PubChem CID140665973
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(2-pyrrolidin-1-ylethoxy)ethanimine
SMILESCC=NOCCN1CCCC1
InChIInChI=1S/C8H16N2O/c1-2-9-11-8-7-10-5-3-4-6-10/h2H,3-8H2,1H3
InChIKeyVWTQQRWDNORMKH-UHFFFAOYSA-N
XLogP1.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethoxy)ethanimine?
The IUPAC name of N-(2-pyrrolidin-1-ylethoxy)ethanimine (CID 140665973) is N-(2-pyrrolidin-1-ylethoxy)ethanimine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethoxy)ethanimine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethoxy)ethanimine is CC=NOCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethoxy)ethanimine?
The InChIKey is VWTQQRWDNORMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-9-11-8-7-10-5-3-4-6-10/h2H,3-8H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylethoxy)ethanimine?
N-(2-pyrrolidin-1-ylethoxy)ethanimine has a molecular weight of 156.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethoxy)ethanimine is sourced from PubChem (CID 140665973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).